methyl (2S)-2-phenyl-2-[(2S)-piperidin-1-ium-2-yl]ethanoate

Systemtic Name: methyl (2S)-2-phenyl-2-[(2S)-piperidin-1-ium-2-yl]ethanoate Openeye Name: methyl (2S)-2-phenyl-2-[(2S)-piperidin-1-ium-2-yl]acetate CAS Name: (2S)-2-phenyl-2-[(2S)-2-piperidin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl (2S)-2-phenyl-2-[(2S)-piperidin-1-ium-2-yl]acetate Traditional Name: (2S)-2-phenyl-2-[(2S)-piperidin-1-ium-2-yl]acetic acid methyl ester Formula: C14H20NO2+ MolecularWeight: 234.3141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1CCCC[NH2+]1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H]([C@@H]1CCCC[NH2+]1)C2=CC=CC=C2

InChI

InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/p+1/t12-,13-/m0/s1